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872495-65-3 | Borinic acid, (3-chlorophenyl)(4-cyanophenyl)-
CAS No: 872495-65-3 Catalog No: AG004R21 MDL No:
Product Description
Catalog Number:
AG004R21
Chemical Name:
Borinic acid, (3-chlorophenyl)(4-cyanophenyl)-
CAS Number:
872495-65-3
Molecular Formula:
C13H9BClNO
Molecular Weight:
241.4807
IUPAC Name:
(3-chlorophenyl)-(4-cyanophenyl)borinic acid
InChI:
InChI=1S/C13H9BClNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8,17H
InChI Key:
DTZBSWFTAYOQRI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)B(c1cccc(c1)Cl)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.481g/mol
Monoisotopic Mass:
241.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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